Information card for entry 4514816

Structure parameters

• Formula: C44 H55 Au N O2 P
• Calculated formula: C44 H55 Au N O2 P
• SMILES: [Au]([P](c1ccccc1c1c(cc(cc1C(C)C)C(C)C)C(C)C)(C(C)(C)C)C(C)(C)C)C1N(C(=O)OC=1c1ccccc1)c1ccccc1
• Title of publication: Gold and Palladium Mediated Bimetallic Catalysis: Mechanistic Investigation through the Isolation of the Organogold(I) Intermediates
• Authors of publication: Verlee, Arno; Heugebaert, Thomas; van der Meer, Tom; Kerchev, Pavel; Van Hecke, Kristof; Van Breusegem, Frank; Stevens, Christian V.
• Journal of publication: ACS Catalysis
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 9
• Pages of publication: 7862
• a: 11.7663 ± 0.0002 Å
• b: 12.5195 ± 0.0002 Å
• c: 15.6679 ± 0.0001 Å
• α: 101.971 ± 0.001°
• β: 95.869 ± 0.001°
• γ: 117.925 ± 0.002°
• Cell volume: 1941.11 ± 0.06 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0325
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0569
• Weighted residual factors for all reflections included in the refinement: 0.0591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No